3-amino-4-[3-(trifluoromethyl)anilino]benzamide

C14H12F3N3O — CID 43448394

IUPAC3-amino-4-[3-(trifluoromethyl)anilino]benzamide
SMILESNC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)9-2-1-3-10(7-9)20-12-5-4-8(13(19)21)6-11(12)18/h1-7,20H,18H2,(H2,19,21)
InChIKeyDXFABSIQYNRXSE-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.13
Rot. Bonds3

About 3-amino-4-[3-(trifluoromethyl)anilino]benzamide

3-amino-4-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 43448394) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-amino-4-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound Name3-amino-4-[3-(trifluoromethyl)anilino]benzamide
PubChem CID43448394
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name3-amino-4-[3-(trifluoromethyl)anilino]benzamide
SMILESNC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)9-2-1-3-10(7-9)20-12-5-4-8(13(19)21)6-11(12)18/h1-7,20H,18H2,(H2,19,21)
InChIKeyDXFABSIQYNRXSE-UHFFFAOYSA-N
XLogP3.13
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-4-[3-(trifluoromethyl)anilino]benzoate
CID 100628739
propan-2-yl 3-amino-4-[3-(trifluoromethyl)anilino]benzoate
CID 100628805
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
3-amino-4-(4-fluoro-3-methylanilino)benzamide
CID 55119022
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 114405030
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
methyl 3-bromo-4-[3-(trifluoromethyl)anilino]benzoate
CID 138680910

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of 3-amino-4-[3-(trifluoromethyl)anilino]benzamide (CID 43448394) is 3-amino-4-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for 3-amino-4-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for 3-amino-4-[3-(trifluoromethyl)anilino]benzamide is NC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1.
What is the InChIKey of 3-amino-4-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is DXFABSIQYNRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)9-2-1-3-10(7-9)20-12-5-4-8(13(19)21)6-11(12)18/h1-7,20H,18H2,(H2,19,21).
What are the key properties of 3-amino-4-[3-(trifluoromethyl)anilino]benzamide?
3-amino-4-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 43448394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).